| CAS Number | 27675-37-2 |
| Catalog Number | AG00CEDC(AGN-PC-0O8ISY) |
| Chemical Name | (1E)-1-nitrobut-1-ene |
| IUPAC Name | (E)-1-nitrobut-1-ene |
| InChI | InChI=1S/C4H7NO2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/b4-3+ |
| InChI Key | UTANVCZNJLPXGK-ONEGZZNKSA-N |
| MDL Number | MFCD11226256 |
| Molecular Formula | C4H7NO2 |
| Molecular Weight | 101.1039 |
| SMILES | CC/C=C/[N+]([O-])=O |
| Synonyms | 1-nitrobut-1-ene,
27675-37-2,
(E)-1-nitrobut-1-ene,
1-nitrobutene,
1-Butene, 1-nitro-, (1E)-,
1-Nitro-1-butene,
AC1O5WNS,
(E)-1-Nitro-1-butene,
AKOS006309610,
TL80073677,
CID6442144,
|
| Complexity | 82.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 101.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 101.105g/mol |
| Monoisotopic Mass | 101.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number